Vitas-M small molecule compound
4-[(2-chloro-4-{(Z)-[3-(2-methoxyethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STL369227
SMILES COCCN1C(=S)S/C(=C\c2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)/C1=O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H18ClNO5S2 MW 463.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClNO5S2/c1-27-9-8-23-19(24)18(30-21(23)29)11-14-4-7-17(16(22)10-14)28-12-13-2-5-15(6-3-13)20(25)26/h2-7,10-11H,8-9,12H2,1H3,(H,25,26)/b18-11-InChIKey
WFXBIEKNJFIUNV-WQRHYEAKSA-NSynonyms
4((2CHLORO4((Z)(3(2METHOXYETHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
4((2chloro4((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzoicacid
COCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(=O)O)Cl)SC1=S
COCCN1C(=S)SC(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC21H18ClNO5S2c127982319(24)18(3021(23)29)11144717(16(22)1014)2812132515(6313)20(25)26h271011H8912H21H3(H2526)b1811
MFCD03705690
ZINC000002986278
ZINC2986278
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